BDBM50201228 6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-trimethoxyphenylamino)quinoline-3-carbonitrile::CHEMBL239160

SMILES: COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N

InChI Key: InChIKey=CTXMXHQMJNELML-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50201228   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50201228 (6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)...) Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C29H33N5O4/c1-33-10-12-34(13-11-33)9-7-6-8-20-14-24-23(17-25(20)35-2)28(21(18-30)19-31-24)32-22-15-26(36-3)29(38-5)27(16-22)37-4/h14-17,19H,7,9-13H2,1-5H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src activity				Bioorg Med Chem Lett 17: 1358-61 (2007) Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50201228 (6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)...) Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C29H33N5O4/c1-33-10-12-34(13-11-33)9-7-6-8-20-14-24-23(17-25(20)35-2)28(21(18-30)19-31-24)32-22-15-26(36-3)29(38-5)27(16-22)37-4/h14-17,19H,7,9-13H2,1-5H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src in rat fibroblasts				Bioorg Med Chem Lett 17: 1358-61 (2007) Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T
					More data for this Ligand-Target Pair